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4-METHYL-PHENYLTHIOLBENZOATE
SpectraBase Compound ID GbLs2QZaxzU
InChI InChI=1S/C14H12OS/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey KMGHFAGCHUDSMG-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C14H12OS
Exact Mass 228.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrxMm0RnY8h
Name S-(4-tolyl) benzothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12OS
InChI InChI=1S/C14H12OS/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey KMGHFAGCHUDSMG-UHFFFAOYSA-N
Molecular Weight 228.309 g/mol
SMILES C(c1ccccc1)(=O)Sc1ccc(cc1)C
SPLASH splash10-0a4i-0900000000-5b91aa9bcb81af52a568
Source of Spectrum KC-0-3347-7
Synonyms benzenecarbothioic acid S-(4-methylphenyl) ester S-(4-methylphenyl) benzenecarbothioate S-(p-tolyl) benzenecarbothioate thiobenzoic acid S-(p-tolyl) ester
Wiley ID 826738